3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane

C34H33BrCl2F2N8Sn — CID 160541513

IUPAC3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane
SMILESC.C[Sn](C)(C)c1cc(-c2cccnc2)ncc1Cl.Nc1ncc(F)cc1-c1cc(-c2cccnc2)ncc1Cl.Nc1ncc(F)cc1Br
InChIInChI=1S/C15H10ClFN4.C10H6ClN2.C5H4BrFN2.CH4.3CH3.Sn/c16-13-8-20-14(9-2-1-3-19-6-9)5-11(13)12-4-10(17)7-21-15(12)18;11-9-3-4-10(13-7-9)8-2-1-5-12-6-8;6-4-1-3(7)2-9-5(4)8;;;;;/h1-8H,(H2,18,21);1-2,4-7H;1-2H,(H2,8,9);1H4;3*1H3;
InChIKeyQWVRUDGKPYVBKM-UHFFFAOYSA-N
MW861.21 g/mol
LogP9.12
Rot. Bonds4

About 3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane

3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane (PubChem CID 160541513) has the molecular formula C34H33BrCl2F2N8Sn and a molecular weight of 861.21 g/mol. Its IUPAC name is 3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane.

Molecular Properties

Compound Name3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane
PubChem CID160541513
Molecular FormulaC34H33BrCl2F2N8Sn
Molecular Weight861.21 g/mol
Exact Mass860.04
IUPAC Name3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane
SMILESC.C[Sn](C)(C)c1cc(-c2cccnc2)ncc1Cl.Nc1ncc(F)cc1-c1cc(-c2cccnc2)ncc1Cl.Nc1ncc(F)cc1Br
InChIInChI=1S/C15H10ClFN4.C10H6ClN2.C5H4BrFN2.CH4.3CH3.Sn/c16-13-8-20-14(9-2-1-3-19-6-9)5-11(13)12-4-10(17)7-21-15(12)18;11-9-3-4-10(13-7-9)8-2-1-5-12-6-8;6-4-1-3(7)2-9-5(4)8;;;;;/h1-8H,(H2,18,21);1-2,4-7H;1-2H,(H2,8,9);1H4;3*1H3;
InChIKeyQWVRUDGKPYVBKM-UHFFFAOYSA-N
XLogP9.12
TPSA129.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.21
LogP ≤ 59.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane with MolForge

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Launch Full Analysis

Related Compounds

4-N-[4-[6-[(5-bromo-3-pyridinyl)methylamino]-2-pyridinyl]-5-chloro-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405069
5'-Chloro-5''-fluoro-3,2':4',3''-terpyridin-2''-amine
CID 66696951
3-[2-[3-[5-[3-[5-[3-[2-Amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile
CID 91807036
3-Chloro-5-(3-fluoropyridin-4-yl)-6-[5-(trifluoromethyl)pyridin-3-yl]pyridin-2-amine
CID 122508217
3-Chloro-5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-3-pyridinyl)pyridin-2-amine
CID 122508222
3-Chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine
CID 122508225
3-Chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine
CID 122508251
3-Bromo-5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-3-pyridinyl)pyridin-2-amine
CID 122508276
4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine
CID 129033326
4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine
CID 156395634
5-Bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;methane;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157258892
2-Bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine
CID 158133735

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane?
The IUPAC name of 3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane (CID 160541513) is 3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane.
What is the SMILES notation for 3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane?
The canonical SMILES for 3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane is C.C[Sn](C)(C)c1cc(-c2cccnc2)ncc1Cl.Nc1ncc(F)cc1-c1cc(-c2cccnc2)ncc1Cl.Nc1ncc(F)cc1Br.
What is the InChIKey of 3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane?
The InChIKey is QWVRUDGKPYVBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4.C10H6ClN2.C5H4BrFN2.CH4.3CH3.Sn/c16-13-8-20-14(9-2-1-3-19-6-9)5-11(13)12-4-10(17)7-21-15(12)18;11-9-3-4-10(13-7-9)8-2-1-5-12-6-8;6-4-1-3(7)2-9-5(4)8;;;;;/h1-8H,(H2,18,21);1-2,4-7H;1-2H,(H2,8,9);1H4;3*1H3;.
What are the key properties of 3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane?
3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane has a molecular weight of 861.21 g/mol, XLogP of 9.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane is sourced from PubChem (CID 160541513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).